Structure Database (LMSD)
Systematic Name
1β,3β,5α,6β-tetrahydroxyandrostan-17-one
Synonyms
LM ID
LMST02020108
Status
Active
Exact Mass
Calculate m/z
338.209325
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ONHQGXIEYFYVDF-MESRZZFMSA-N
InChi (Click to copy)
InChI=1S/C19H30O5/c1-17-6-5-13-11(12(17)3-4-14(17)21)8-16(23)19(24)9-10(20)7-15(22)18(13,19)2/h10-13,15-16,20,22-24H,3-9H2,1-2H3/t10-,11-,12-,13-,15+,16+,17-,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@H](O)C[C@@]2(O)[C@@](C)([C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])C[C@H]2O)[C@@H]1O
References
Reference
Marine Sterols
R. G. Kerr and B. J. Baker
Marine sterols. Nat. Prod. Rep. 8, 465-497
R. G. Kerr and B. J. Baker
Marine sterols. Nat. Prod. Rep. 8, 465-497
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sarcophyton glaucum
(#70919)
Anthozoa
(#6101)
Marine Sterols,
Nat Prod Rep, 1991
Nat Prod Rep, 1991
DOI:
10.1039/NP9910800465
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
329.13
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
2.16
Molar Refractivity
89.03
Admin
Created at
-
Updated at
27th May 2021